N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine

C16H23NO — CID 103735577

IUPACN-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccc(CNCC2(CC)CC2)cc1
InChIInChI=1S/C16H23NO/c1-3-11-18-15-7-5-14(6-8-15)12-17-13-16(4-2)9-10-16/h3,5-8,17H,1,4,9-13H2,2H3
InChIKeyHDJUMTCGVQALOE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.53
Rot. Bonds8

About N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine

N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine (PubChem CID 103735577) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
PubChem CID103735577
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
SMILESC=CCOc1ccc(CNCC2(CC)CC2)cc1
InChIInChI=1S/C16H23NO/c1-3-11-18-15-7-5-14(6-8-15)12-17-13-16(4-2)9-10-16/h3,5-8,17H,1,4,9-13H2,2H3
InChIKeyHDJUMTCGVQALOE-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-[[(4-prop-2-enoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 105414481
N-[(3-methyloxetan-3-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 78957179
1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735458
2,2-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 61167785
N-[(4-prop-2-enoxyphenyl)methyl]hexadecan-1-amine
CID 54847664
N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291144
methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate
CID 103923539
N-[(1-ethylcyclopropyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756472
N-methoxy-1-(4-prop-2-enoxyphenyl)methanamine
CID 82706596
4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline
CID 114125839
1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290477
4-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 29045466

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine (CID 103735577) is N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine is C=CCOc1ccc(CNCC2(CC)CC2)cc1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine?
The InChIKey is HDJUMTCGVQALOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-11-18-15-7-5-14(6-8-15)12-17-13-16(4-2)9-10-16/h3,5-8,17H,1,4,9-13H2,2H3.
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine?
N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine has a molecular weight of 245.37 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine is sourced from PubChem (CID 103735577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).