N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride

C16H26ClNO — CID 17291144

IUPACN-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
SMILESC=CCOc1ccc(CNCCCCCC)cc1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-3-5-6-7-12-17-14-15-8-10-16(11-9-15)18-13-4-2;/h4,8-11,17H,2-3,5-7,12-14H2,1H3;1H
InChIKeyVAIBPWQASOKSRD-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.34
Rot. Bonds10

About N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride

N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride (PubChem CID 17291144) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
PubChem CID17291144
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC NameN-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride
SMILESC=CCOc1ccc(CNCCCCCC)cc1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-3-5-6-7-12-17-14-15-8-10-16(11-9-15)18-13-4-2;/h4,8-11,17H,2-3,5-7,12-14H2,1H3;1H
InChIKeyVAIBPWQASOKSRD-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-prop-2-enoxyphenyl)methyl]hexadecan-1-amine
CID 54847664
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291090
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
N',N'-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17293221
2-[4-[(hexylamino)methyl]phenoxy]ethanol;hydrochloride
CID 17213255
N-[(4-phenylmethoxyphenyl)methyl]octan-1-amine;hydrochloride
CID 17331183
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]heptan-1-amine;hydrochloride
CID 17054378
4-(2-methoxyethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 115600231
N-[[4-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54797438
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]hexan-1-amine
CID 4716850
N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720680
N-[(4-methylphenyl)methyl]octan-1-amine;hydrochloride
CID 17331169

Frequently Asked Questions

What is the IUPAC name of N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride?
The IUPAC name of N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride (CID 17291144) is N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride.
What is the SMILES notation for N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride?
The canonical SMILES for N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride is C=CCOc1ccc(CNCCCCCC)cc1.Cl.
What is the InChIKey of N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride?
The InChIKey is VAIBPWQASOKSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-3-5-6-7-12-17-14-15-8-10-16(11-9-15)18-13-4-2;/h4,8-11,17H,2-3,5-7,12-14H2,1H3;1H.
What are the key properties of N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride?
N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-prop-2-enoxyphenyl)methyl]hexan-1-amine;hydrochloride is sourced from PubChem (CID 17291144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).