N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine

C20H34ClNO — CID 22091512

IUPACN-[(3-chlorophenyl)methyl]-2-undecoxyethanamine
SMILESCCCCCCCCCCCOCCNCc1cccc(Cl)c1
InChIInChI=1S/C20H34ClNO/c1-2-3-4-5-6-7-8-9-10-15-23-16-14-22-18-19-12-11-13-20(21)17-19/h11-13,17,22H,2-10,14-16,18H2,1H3
InChIKeyRPLDNYGYMMHOKD-UHFFFAOYSA-N
MW339.95 g/mol
LogP5.98
Rot. Bonds15

About N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine

N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine (PubChem CID 22091512) has the molecular formula C20H34ClNO and a molecular weight of 339.95 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-undecoxyethanamine
PubChem CID22091512
Molecular FormulaC20H34ClNO
Molecular Weight339.95 g/mol
Exact Mass339.23
IUPAC NameN-[(3-chlorophenyl)methyl]-2-undecoxyethanamine
SMILESCCCCCCCCCCCOCCNCc1cccc(Cl)c1
InChIInChI=1S/C20H34ClNO/c1-2-3-4-5-6-7-8-9-10-15-23-16-14-22-18-19-12-11-13-20(21)17-19/h11-13,17,22H,2-10,14-16,18H2,1H3
InChIKeyRPLDNYGYMMHOKD-UHFFFAOYSA-N
XLogP5.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.95
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 115584497
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N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
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N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 65125794
2-butoxy-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79978936
N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618387
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
1-(3-butoxypropyl)-3-[(3-chlorophenyl)methyl]urea
CID 108898647
1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine (CID 22091512) is N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine is CCCCCCCCCCCOCCNCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine?
The InChIKey is RPLDNYGYMMHOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34ClNO/c1-2-3-4-5-6-7-8-9-10-15-23-16-14-22-18-19-12-11-13-20(21)17-19/h11-13,17,22H,2-10,14-16,18H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine?
N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine has a molecular weight of 339.95 g/mol, XLogP of 5.98, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine is sourced from PubChem (CID 22091512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).