N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine

C12H18FNO — CID 115733079

IUPACN-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine
SMILESCCOc1ccc(CNCCCF)cc1
InChIInChI=1S/C12H18FNO/c1-2-15-12-6-4-11(5-7-12)10-14-9-3-8-13/h4-7,14H,2-3,8-10H2,1H3
InChIKeyVEISGXQSHLCWJN-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.53
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine

N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine (PubChem CID 115733079) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine
PubChem CID115733079
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine
SMILESCCOc1ccc(CNCCCF)cc1
InChIInChI=1S/C12H18FNO/c1-2-15-12-6-4-11(5-7-12)10-14-9-3-8-13/h4-7,14H,2-3,8-10H2,1H3
InChIKeyVEISGXQSHLCWJN-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.53
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

3-[(4-ethoxyphenyl)methylamino]propan-1-ol
CID 7991761
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
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N-[(4-ethoxyphenyl)methyl]-4-methylpentan-1-amine
CID 60744254
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
N-[(4-ethoxyphenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 55173586
4-[(4-ethoxyphenyl)methylamino]butanamide
CID 60863018
N-[(4-ethoxyphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 113405276
N-(bromomethyl)-1-(4-ethoxyphenyl)methanamine
CID 115261867
(E)-N-[(4-ethoxyphenyl)methyl]pent-3-en-1-amine
CID 115629115
N-[(4-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588362
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832
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CID 961342

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine (CID 115733079) is N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine is CCOc1ccc(CNCCCF)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine?
The InChIKey is VEISGXQSHLCWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-2-15-12-6-4-11(5-7-12)10-14-9-3-8-13/h4-7,14H,2-3,8-10H2,1H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine?
N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 115733079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).