(trans)-Allyl-(1-cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine

C18H25NO — CID 10355844

IUPAC(1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOC1=CC=CC2=C1[C@H]([C@@H](CC2)NCC=C)CC3CC3
InChIInChI=1S/C18H25NO/c1-3-11-19-16-10-9-14-5-4-6-17(20-2)18(14)15(16)12-13-7-8-13/h3-6,13,15-16,19H,1,7-12H2,2H3/t15-,16+/m0/s1
InChIKeyVZWNNVXUJXTKHI-JKSUJKDBSA-N
MW271.40 g/mol
LogP4.10
Rot. Bonds6

About (trans)-Allyl-(1-cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine

(trans)-Allyl-(1-cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine (PubChem CID 10355844) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(trans)-Allyl-(1-cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine
PubChem CID10355844
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOC1=CC=CC2=C1[C@H]([C@@H](CC2)NCC=C)CC3CC3
InChIInChI=1S/C18H25NO/c1-3-11-19-16-10-9-14-5-4-6-17(20-2)18(14)15(16)12-13-7-8-13/h3-6,13,15-16,19H,1,7-12H2,2H3/t15-,16+/m0/s1
InChIKeyVZWNNVXUJXTKHI-JKSUJKDBSA-N
XLogP4.10
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity325

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (trans)-Allyl-(1-cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

AJ 76
CID 122334
8-Methoxy-2-aminotetralin
CID 10197933
Ent-3-methoxymorphinan
CID 6603912
UH 232
CID 123696
2-Amino-5-methoxytetralin
CID 11469395
2-Acetamido-8-methoxytetralin
CID 3018920
(1S,2R)-5-methoxy-1-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 6604756
4-Cyclohexyl-1-[N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-aminoethyl]piperidine
CID 44598190
8-Methoxy-2-propionamidotetralin
CID 5170952
(3aR,9bS)-3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10105844
9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10332127
8-Allyl-7-allylamino-5,6,7,8-tetrahydro-naphthalen-1-ol
CID 10466960

Frequently Asked Questions

What is the IUPAC name of (trans)-Allyl-(1-cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine?
The IUPAC name of (trans)-Allyl-(1-cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine (CID 10355844) is (1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (trans)-Allyl-(1-cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine?
The canonical SMILES for (trans)-Allyl-(1-cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine is COC1=CC=CC2=C1[C@H]([C@@H](CC2)NCC=C)CC3CC3.
What is the InChIKey of (trans)-Allyl-(1-cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine?
The InChIKey is VZWNNVXUJXTKHI-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-11-19-16-10-9-14-5-4-6-17(20-2)18(14)15(16)12-13-7-8-13/h3-6,13,15-16,19H,1,7-12H2,2H3/t15-,16+/m0/s1.
What are the key properties of (trans)-Allyl-(1-cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine?
(trans)-Allyl-(1-cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine has a molecular weight of 271.40 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (trans)-Allyl-(1-cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-amine is sourced from PubChem (CID 10355844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).