3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine

C18H28N2O — CID 107126651

IUPAC3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine
SMILESc1ccc2c(c1)CCC(CNCCCN1CCOCC1)C2
InChIInChI=1S/C18H28N2O/c1-2-5-18-14-16(6-7-17(18)4-1)15-19-8-3-9-20-10-12-21-13-11-20/h1-2,4-5,16,19H,3,6-15H2
InChIKeySZEBBMQDBZULGC-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.10
Rot. Bonds6

About 3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine

3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine (PubChem CID 107126651) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine
PubChem CID107126651
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine
SMILESc1ccc2c(c1)CCC(CNCCCN1CCOCC1)C2
InChIInChI=1S/C18H28N2O/c1-2-5-18-14-16(6-7-17(18)4-1)15-19-8-3-9-20-10-12-21-13-11-20/h1-2,4-5,16,19H,3,6-15H2
InChIKeySZEBBMQDBZULGC-UHFFFAOYSA-N
XLogP2.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-2-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 106892883
N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine
CID 107126647
(3S)-2-acetyl-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95293253
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
[2-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]methanol
CID 83960077
N-(cyclohex-3-en-1-ylmethyl)-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053079
3-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]propan-1-amine
CID 93262389
3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 62386835
(2R)-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1-carbothioamide
CID 8619555
(2S)-2-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydroindole-1-carbothioamide
CID 8619558
(3S)-2-acetyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95152790

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine (CID 107126651) is 3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine is c1ccc2c(c1)CCC(CNCCCN1CCOCC1)C2.
What is the InChIKey of 3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine?
The InChIKey is SZEBBMQDBZULGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-5-18-14-16(6-7-17(18)4-1)15-19-8-3-9-20-10-12-21-13-11-20/h1-2,4-5,16,19H,3,6-15H2.
What are the key properties of 3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine?
3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 107126651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).