(1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine

C18H25NO — CID 10445902

IUPAC(1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CC[C@@H]1c2c(cccc2OC)CC[C@H]1NCC1CC1
InChIInChI=1S/C18H25NO/c1-3-5-15-16(19-12-13-8-9-13)11-10-14-6-4-7-17(20-2)18(14)15/h3-4,6-7,13,15-16,19H,1,5,8-12H2,2H3/t15-,16+/m0/s1
InChIKeyZDGCYKNKBKUIBF-JKSUJKDBSA-N
MW271.40 g/mol
LogP3.67
Rot. Bonds6

About (1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine

(1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 10445902) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID10445902
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESC=CC[C@@H]1c2c(cccc2OC)CC[C@H]1NCC1CC1
InChIInChI=1S/C18H25NO/c1-3-5-15-16(19-12-13-8-9-13)11-10-14-6-4-7-17(20-2)18(14)15/h3-4,6-7,13,15-16,19H,1,5,8-12H2,2H3/t15-,16+/m0/s1
InChIKeyZDGCYKNKBKUIBF-JKSUJKDBSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 10445902) is (1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine is C=CC[C@@H]1c2c(cccc2OC)CC[C@H]1NCC1CC1.
What is the InChIKey of (1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ZDGCYKNKBKUIBF-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-5-15-16(19-12-13-8-9-13)11-10-14-6-4-7-17(20-2)18(14)15/h3-4,6-7,13,15-16,19H,1,5,8-12H2,2H3/t15-,16+/m0/s1.
What are the key properties of (1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine?
(1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 271.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-N-(cyclopropylmethyl)-8-methoxy-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 10445902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).